Structure database (LMSD)

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LM IDLMFA07040026
Common Name10-Methyloxecan-2-one
Systematic Name9-decanolide
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
Alternative ClassesCarbocyclic fatty acids[FA0114]
AbbrevFA 10:1
PubChem CID566646
InChIKeySAMJSVOFANTIOD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h9H,2-8H2,1H3
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SMILES
O1C(C)CCCCCCCC1=O
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
184.14Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.95Molar
Refractivity
48.39